Using VASP

Moderators: Global Moderator, Moderator

New Topic

5318 topics

Page 78 of 266
- Jump to page:
Previous
1
…
76
77
78
79
80
…
266
Next

Topics

Replies

Views

Last post

Higher SCF energies after relaxation

Last post by mtardieux « Thu May 02, 2024 1:36 pm
Replies: 13
by mtardieux » Mon Apr 29, 2024 4:07 pm

13 Replies

11239 Views

Last post by mtardieux
Thu May 02, 2024 1:36 pm
high local exchange functional reg.

Last post by fabien_tran1 « Tue Apr 30, 2024 12:29 pm
Replies: 1
by Mausumi » Tue Apr 30, 2024 12:12 pm

1 Replies

3206 Views

Last post by fabien_tran1
Tue Apr 30, 2024 12:29 pm
Madelung potential at atomic sites.

Last post by asif_ali28 « Mon Apr 29, 2024 4:52 pm
Replies: 2
by asif_ali28 » Fri Apr 26, 2024 12:49 pm

2 Replies

5075 Views

Last post by asif_ali28
Mon Apr 29, 2024 4:52 pm
Confusion on the order of calculations.

Last post by fabien_tran1 « Mon Apr 29, 2024 2:45 pm
Replies: 1
by pranjal222 » Mon Apr 29, 2024 12:55 pm

1 Replies

3399 Views

Last post by fabien_tran1
Mon Apr 29, 2024 2:45 pm
Calculating the Fermi energy in a metal

Last post by fabien_tran1 « Mon Apr 29, 2024 9:09 am
Replies: 1
by bprobinson102 » Fri Apr 26, 2024 2:57 pm

1 Replies

4515 Views

Last post by fabien_tran1
Mon Apr 29, 2024 9:09 am
Recommended learning plan for melt-quench-recrystallization

Last post by fabien_tran1 « Fri Apr 26, 2024 11:58 am
Replies: 1
by paulfons » Fri Apr 26, 2024 9:33 am

1 Replies

4373 Views

Last post by fabien_tran1
Fri Apr 26, 2024 11:58 am
Process pinning with intelmpi.

Last post by hszhao.cn@gmail.com « Fri Apr 26, 2024 4:24 am
Replies: 3
by hszhao.cn@gmail.com » Thu Apr 11, 2024 2:43 pm

3 Replies

5968 Views

Last post by hszhao.cn@gmail.com
Fri Apr 26, 2024 4:24 am
Unexpected negative Frequencies

Last post by farah_shahzadi « Thu Apr 25, 2024 4:52 pm
Replies: 4
by farah_shahzadi » Thu Apr 25, 2024 7:31 am

4 Replies

5121 Views

Last post by farah_shahzadi
Thu Apr 25, 2024 4:52 pm
for extremely small SIGMA values VASP might have difficulties to converge to the correct atomic ground state.

Last post by hszhao.cn@gmail.com « Thu Apr 25, 2024 1:49 am
Replies: 2
by hszhao.cn@gmail.com » Sat Apr 20, 2024 2:12 am

2 Replies

4748 Views

Last post by hszhao.cn@gmail.com
Thu Apr 25, 2024 1:49 am
Constrain the size and direction of the magnetic moments

Last post by fabien_tran1 « Wed Apr 24, 2024 3:13 pm
Replies: 13
by liang_zhang » Mon Apr 22, 2024 8:15 pm

13 Replies

12363 Views

Last post by fabien_tran1
Wed Apr 24, 2024 3:13 pm
Some questions and errors when running the wiki example: "Bandstructure of SrVO3 in GW".

Last post by hszhao.cn@gmail.com « Wed Apr 24, 2024 4:37 am
Replies: 7
by hszhao.cn@gmail.com » Sun Apr 21, 2024 2:54 pm

7 Replies

7505 Views

Last post by hszhao.cn@gmail.com
Wed Apr 24, 2024 4:37 am
Bands included in the BSE

Last post by sergey_stolbov1 « Sat Apr 20, 2024 5:04 pm
Replies: 2
by yuanchang_li » Sun Mar 05, 2023 4:57 pm

2 Replies

3853 Views

Last post by sergey_stolbov1
Sat Apr 20, 2024 5:04 pm
Work flow for DOS and band structure with hybrid functionals

Last post by michael_wolloch « Fri Apr 19, 2024 9:26 am
Replies: 2
by reynaldo.putra » Tue Apr 16, 2024 4:23 pm

2 Replies

3920 Views

Last post by michael_wolloch
Fri Apr 19, 2024 9:26 am
Minimum number of ionic steps?

Last post by michael_wolloch « Thu Apr 18, 2024 10:14 am
Replies: 3
by matthewkuner » Tue Apr 16, 2024 11:00 pm

3 Replies

3359 Views

Last post by michael_wolloch
Thu Apr 18, 2024 10:14 am
Causes of Straight Bands in Phonon Dispersion Calculations

Last post by michael_wolloch « Thu Apr 18, 2024 8:10 am
Replies: 3
by farah_shahzadi » Wed Apr 17, 2024 1:33 pm

3 Replies

3454 Views

Last post by michael_wolloch
Thu Apr 18, 2024 8:10 am
Why does the force keep falling below EDIFFG when running NEB?

Last post by tjgus6142 « Thu Apr 18, 2024 2:53 am
Replies: 4
by tjgus6142 » Mon Apr 15, 2024 5:02 am

4 Replies

3894 Views

Last post by tjgus6142
Thu Apr 18, 2024 2:53 am
About "Band gap renormalization in diamond using one-shot method"

Last post by alexey.tal « Wed Apr 17, 2024 12:55 pm
Replies: 3
by yuanchang_li » Fri Jan 19, 2024 11:36 am

3 Replies

4939 Views

Last post by alexey.tal
Wed Apr 17, 2024 12:55 pm
Many tests of vasp.6.4.2 compiled on AMD epyc 9554 failed.

Last post by michael_wolloch « Wed Apr 17, 2024 10:46 am
Replies: 2
by hszhao.cn@gmail.com » Wed Apr 17, 2024 8:54 am

2 Replies

2703 Views

Last post by michael_wolloch
Wed Apr 17, 2024 10:46 am
Mueller-Plathe method

Last post by bandri « Mon Apr 15, 2024 12:23 pm
Replies: 2
by bandri » Sun Apr 14, 2024 9:48 am

2 Replies

2098 Views

Last post by bandri
Mon Apr 15, 2024 12:23 pm
NAGITIVE PHONON FREQUENCIES

Last post by asgharali_jan « Sat Apr 13, 2024 4:27 am
Replies: 4
by asgharali_jan » Wed Apr 10, 2024 3:13 am

4 Replies

3268 Views

Last post by asgharali_jan
Sat Apr 13, 2024 4:27 am

New Topic

5318 topics

Page 78 of 266
- Jump to page:
Previous
1
…
76
77
78
79
80
…
266
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum